1-(4-chlorophenyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

C22H16ClF4N5O — CID 55817606

IUPAC1-(4-chlorophenyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)c3cnn(-c4ccc(Cl)cc4)c3C(F)(F)F)cc2F)n1
InChIInChI=1S/C22H16ClF4N5O/c1-12-9-13(2)31(30-12)19-8-5-15(10-18(19)24)29-21(33)17-11-28-32(20(17)22(25,26)27)16-6-3-14(23)4-7-16/h3-11H,1-2H3,(H,29,33)
InChIKeySCSLGEICLSNVLL-UHFFFAOYSA-N
MW477.85 g/mol
LogP5.74
Rot. Bonds4

About 1-(4-chlorophenyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide

1-(4-chlorophenyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 55817606) has the molecular formula C22H16ClF4N5O and a molecular weight of 477.85 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID55817606
Molecular FormulaC22H16ClF4N5O
Molecular Weight477.85 g/mol
Exact Mass477.10
IUPAC Name1-(4-chlorophenyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)c3cnn(-c4ccc(Cl)cc4)c3C(F)(F)F)cc2F)n1
InChIInChI=1S/C22H16ClF4N5O/c1-12-9-13(2)31(30-12)19-8-5-15(10-18(19)24)29-21(33)17-11-28-32(20(17)22(25,26)27)16-6-3-14(23)4-7-16/h3-11H,1-2H3,(H,29,33)
InChIKeySCSLGEICLSNVLL-UHFFFAOYSA-N
XLogP5.74
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.85
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-acetamidophenyl)-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 18270790
N-(3,4-difluorophenyl)-1-(4-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 31786455
1-(4-chlorophenyl)-N-(3-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 18228961
N-[3-(carbamoylamino)phenyl]-1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 91135448
methyl N-[4-[[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]carbamate
CID 55804670
N-(4-chlorophenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 2807979
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CID 112821285
N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-1-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55856740
1-(4-chlorophenyl)-N-[4-(2-methylpropanoylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 46669190
N-(3-fluoro-4-methylphenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 16579165
1-(4-chlorophenyl)-N-(3-methylsulfinylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 91529607
[3-[[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]boronic acid
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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 55817606) is 1-(4-chlorophenyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is Cc1cc(C)n(-c2ccc(NC(=O)c3cnn(-c4ccc(Cl)cc4)c3C(F)(F)F)cc2F)n1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is SCSLGEICLSNVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF4N5O/c1-12-9-13(2)31(30-12)19-8-5-15(10-18(19)24)29-21(33)17-11-28-32(20(17)22(25,26)27)16-6-3-14(23)4-7-16/h3-11H,1-2H3,(H,29,33).
What are the key properties of 1-(4-chlorophenyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide?
1-(4-chlorophenyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 477.85 g/mol, XLogP of 5.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 55817606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).